3-ethyl-2-[3-[3-ethyl-5-(methoxymethyl)-1,3-benzothiazol-3-ium-2-yl]prop-2-enylidene]-5-(methoxymethyl)-1,3-benzothiazole

Systemtic Name: 3-ethyl-2-[3-[3-ethyl-5-(methoxymethyl)-1,3-benzothiazol-3-ium-2-yl]prop-2-enylidene]-5-(methoxymethyl)-1,3-benzothiazole Openeye Name: 3-ethyl-2-[3-[3-ethyl-5-(methoxymethyl)-1,3-benzothiazol-3-ium-2-yl]prop-2-enylidene]-5-(methoxymethyl)-1,3-benzothiazole CAS Name: 3-ethyl-2-[3-[3-ethyl-5-(methoxymethyl)-1,3-benzothiazol-3-ium-2-yl]prop-2-enylidene]-5-(methoxymethyl)-1,3-benzothiazole IUPAC Name: 3-ethyl-2-[3-[3-ethyl-5-(methoxymethyl)-1,3-benzothiazol-3-ium-2-yl]prop-2-enylidene]-5-(methoxymethyl)-1,3-benzothiazole Traditional Name: 3-ethyl-2-[3-[3-ethyl-5-(methoxymethyl)-1,3-benzothiazol-3-ium-2-yl]prop-2-enylidene]-5-(methoxymethyl)-1,3-benzothiazole Formula: C25H29N2O2S2+ MolecularWeight: 453.63996

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)COC)SC1=CC=CC3=[N+](C4=C(S3)C=CC(=C4)COC)CC

Isomeric SMILES

CCN1C2=C(C=CC(=C2)COC)SC1=CC=CC3=[N+](C4=C(S3)C=CC(=C4)COC)CC

InChI

InChI=1S/C25H29N2O2S2/c1-5-26-20-14-18(16-28-3)10-12-22(20)30-24(26)8-7-9-25-27(6-2)21-15-19(17-29-4)11-13-23(21)31-25/h7-15H,5-6,16-17H2,1-4H3/q+1